SCHEMBL2300461

SCHEMBL2300461

O=C1NCCN1c1ccc(S(=O)(=O)Oc2ccc([N+](=O)[O-])cc2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.48
HSP90AA1 P07900 1/20 0.48
MAOA P21397 1/20 0.46
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA9 Q16790 1/20 0.44
ADRB1 P08588 1/20 0.43
SIRT6 Q8N6T7 1/20 0.43
SMN1; SMN2 Q16637 3/20 0.42
LMNA P02545 3/20 0.42
GAA P10253 1/20 0.42
ALPL P05186 1/20 0.41
ALPI P09923 1/20 0.41
ADORA2B P29275 2/20 0.41
HPGD P15428 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
CTSG P08311 1/20 0.40
CMA1 P23946 1/20 0.40
POLB P06746 2/20 0.40
MEN1 O00255 1/20 0.39

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL12353773 0.89 MAOA (0.41) MAOASMN1; SMN2HPGDL3MBTL1
SCHEMBL2303981 0.86 GPR17 (0.49) ADORA2B
SCHEMBL4709358 0.85 SIRT6 (0.56) ALDH1A1ADRB1SIRT6SMN1; SMN2LMNA
SCHEMBL2307065 0.84 GAA (0.46) ALDH1A1CA2CA9SMN1; SMN2LMNA
SCHEMBL2300751 0.84 GAA (0.46) ALDH1A1SMN1; SMN2LMNAGAAMAPT
SCHEMBL14217340 0.84 F2 (0.44) ALDH1A1MAOASMN1; SMN2LMNAALPL
SCHEMBL14119772 0.83 MEN1 (0.41) ALDH1A1MAOACA1CA2CA9
SCHEMBL2303527 0.83 GAA (0.45) ALDH1A1SMN1; SMN2LMNAGAAMEN1
SCHEMBL2306912 0.83 GAA (0.45) ALDH1A1CA1CA2CA9SMN1; SMN2
SCHEMBL2297976 0.83 TDP1 (0.51) ALDH1A1SMN1; SMN2LMNAGAAALPL

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9034888-B2 Substituted 2-imidazolidones and analogs UNIVERSITE LAVAL (CA) 2015-05-19 US disclosed
US-9034888-B2 Substituted 2-imidazolidones and analogs UNIVERSITE LAVAL (CA) 2015-05-19 US disclosed
US-9034888-B2 Substituted 2-imidazolidones and analogs UNIVERSITE LAVAL (CA) 2015-05-19 US disclosed
EP-2536693-A1 SUBSTITUTED 2-IMIDAZOLIDONES AND ANALOGS Université Laval (CA) 2012-12-26 EP disclosed
US-20120309777-A1 SUBSTITUTED 2-IMIDAZOLIDONES AND ANALOGS UNIVERSITE LAVAL (CA) 2012-12-06 US disclosed
US-20120309777-A1 SUBSTITUTED 2-IMIDAZOLIDONES AND ANALOGS UNIVERSITE LAVAL (CA) 2012-12-06 US disclosed
WO-2011100840-A1 SUBSTITUTED 2-IMIDAZOLIDONES AND ANALOGS UNIVERSITé LAVAL (CA) 2011-08-25 WO disclosed
WO-2011100840-A1 SUBSTITUTED 2-IMIDAZOLIDONES AND ANALOGS UNIVERSITé LAVAL (CA) 2011-08-25 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20120309777-A1 SUBSTITUTED 2-IMIDAZOLIDONES AND ANALOGS CCNY, RPS4Y1, TPX2 ALDH1A1 1937/4885HSP90AA1 2678/4885MAOA 3620/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.